三氟化苯

Description

Benzotrifluoride · CAS 98-08-8 · C7H5F3. UNII 49R6421K89. Boiling Point: 208 to 210 °F at 760 mmHg (NTP, 1992); Boiling Point: 103.46 °C; Boiling Point: 102.1 °C @760 [mm Hg].

Identification

CAS Registry Number	98-08-8
PubChem CID	7368
Molecular formula	C7H5F3
IUPAC name	trifluoromethylbenzene
UNII (FDA)	49R6421K89

Computed Descriptors

Molecular Weight	146.11
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	146.03433465
Monoisotopic Mass	146.03433465
Topological Polar Surface Area	0
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	208 to 210 °F at 760 mmHg (NTP, 1992)
Boiling Point	103.46 °C
Boiling Point	102.1 °C @760 [mm Hg]
Melting Point	-20.4 °F (NTP, 1992)
Melting Point	-29.05 °C
Melting Point	-28.95 °C
Flash Point	54 °F (NTP, 1992)
Flash Point	54 °F (12 °C) (CLOSED CUP)
Density	1.1886 @ 20 °C
Density	1.189 @ 20°C

Physical description & handling notes

• Benzotrifluoride appears as a clear colorless liquid with an aromatic odor. Flash point of 54 °F. Vapors are heavier than air. Insoluble in water and slightly denser than water. May be toxic by inhalation.
• Liquid; [Hawley]
• WATER WHITE LIQUID
• AROMATIC ODOR
• Heat of fusion at melting point = 1.3782X10+7 J/kmol
• less than 1 mg/mL at 70 °F (NTP, 1992)

GHS Hazard Classification

Reported hazard statements	H225, H411, H401, H332

Documented Uses

• Used in organic synthesis, dielectric fluids, solvents, and vulcanizing agents; [HSDB]
• IN MANUFACTURE OF SUBSTITUTED BENZOTRIFLUORIDES
• CHEM INT FOR LAMPREYCIDE, 3-HYDROXY-6-NITROBENZOFLUORIDE; AGENT IN DIELECTRIC FLUIDS; CHEM INT FOR DYES, PHARMACEUTICALS, COMPD USED IN HIGH POLYMER CHEMISTRY & INT IN OTHER MISC APPLICATIONS
• SOLVENT; VULCANIZING AGENT; INSECTICIDES
• PREPARED BY ACTION OF HYDROGEN FLUORIDE ON BENZOTRICHLORIDE
• ...BY ACTION OF ANTIMONY TRIFLUORIDE ON BENZOTRICHLORIDE

Synonyms

BENZOTRIFLUORIDE; 98-08-8; (Trifluoromethyl)benzene; Trifluoromethylbenzene; Phenylfluoroform; Benzene, (trifluoromethyl)-; Benzylidyne fluoride; Benzenyl fluoride; USAF MA-16; Toluene trifluoride; omega-Trifluorotoluene; UN2338; DTXSID2024589; Toluene, alpha,alpha,alpha-trifluoro-; NSC-8038; DTXCID404589

Frequently Asked Questions

What are the CAS number and molecular formula of Benzotrifluoride?

CAS 98-08-8; molecular formula C7H5F3; molecular weight — g/mol.

What other names is Benzotrifluoride known by?

BENZOTRIFLUORIDE, 98-08-8, (Trifluoromethyl)benzene, Trifluoromethylbenzene, Phenylfluoroform, Benzene, (trifluoromethyl)-.

Is Benzotrifluoride classified as hazardous?

Hazard statements reported: H225, H411, H401, H332.

What are the key physical properties of Benzotrifluoride?

Boiling Point: 208 to 210 °F at 760 mmHg (NTP, 1992); Boiling Point: 103.46 °C; Boiling Point: 102.1 °C @760 [mm Hg]; Melting Point: -20.4 °F (NTP, 1992).

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.